(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide

C20H26ClN3O2 — CID 51725187

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C20H26ClN3O2/c1-5-24(6-2)19-10-7-16(12-22-19)13-23-20(25)15(4)26-18-9-8-17(21)11-14(18)3/h7-12,15H,5-6,13H2,1-4H3,(H,23,25)/t15-/m1/s1
InChIKeyMIBPUWYCKZTTSK-OAHLLOKOSA-N
MW375.90 g/mol
LogP3.97
Rot. Bonds8

About (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide (PubChem CID 51725187) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
PubChem CID51725187
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C20H26ClN3O2/c1-5-24(6-2)19-10-7-16(12-22-19)13-23-20(25)15(4)26-18-9-8-17(21)11-14(18)3/h7-12,15H,5-6,13H2,1-4H3,(H,23,25)/t15-/m1/s1
InChIKeyMIBPUWYCKZTTSK-OAHLLOKOSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133163191
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176903
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide (CID 51725187) is (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide is CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cn1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide?
The InChIKey is MIBPUWYCKZTTSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-5-24(6-2)19-10-7-16(12-22-19)13-23-20(25)15(4)26-18-9-8-17(21)11-14(18)3/h7-12,15H,5-6,13H2,1-4H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 51725187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).